[gmx-users] LINCS problem

s lal badshah shahbiochemist at yahoo.com
Mon Mar 24 06:44:19 CET 2008


Dear Experts,
I checked the error lincs page and from that what I ignored in my work are the two errors these are:

Warning: there  are 0 atoms with zero occupancy and 1 atom with occupancy unequal  to one (out of 1480 atoms).Check your pdb file

Warning: masses will be determined based on residue and atom names,this can deviate from the real mass of the atom type.In case you use free energy of solvation predictions.
 
Can I correct these errors?
regards,
Lal badshah


SYED LAL BADSHAH 
M.Phil Scholar 
NCE in Physical Chemistry, 
University of Peshawar. 
NWFP,Pakistan. 
Cell # 03349060632.
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